2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide

C18H17F6N3O — CID 90614857

IUPAC2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
SMILESO=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F6N3O/c19-17(20,21)13-7-3-1-5-11(13)16(28)25-9-10-27-14-8-4-2-6-12(14)15(26-27)18(22,23)24/h1,3,5,7H,2,4,6,8-10H2,(H,25,28)
InChIKeyOLLQJXJPOFBKDU-UHFFFAOYSA-N
MW405.34 g/mol
LogP4.23
Rot. Bonds4

About 2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide

2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide (PubChem CID 90614857) has the molecular formula C18H17F6N3O and a molecular weight of 405.34 g/mol. Its IUPAC name is 2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
PubChem CID90614857
Molecular FormulaC18H17F6N3O
Molecular Weight405.34 g/mol
Exact Mass405.13
IUPAC Name2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
SMILESO=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F6N3O/c19-17(20,21)13-7-3-1-5-11(13)16(28)25-9-10-27-14-8-4-2-6-12(14)15(26-27)18(22,23)24/h1,3,5,7H,2,4,6,8-10H2,(H,25,28)
InChIKeyOLLQJXJPOFBKDU-UHFFFAOYSA-N
XLogP4.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614856
2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614840
N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide
CID 90614801
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614839
N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide
CID 90615544
4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614831
2,3-dimethyl-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 86653504
2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide
CID 72718569
2-propyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pentanamide
CID 90614777
N-[2-(3-methylpyrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 16677485
N-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267587
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 139020013

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
The IUPAC name of 2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide (CID 90614857) is 2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
The canonical SMILES for 2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide is O=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
The InChIKey is OLLQJXJPOFBKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F6N3O/c19-17(20,21)13-7-3-1-5-11(13)16(28)25-9-10-27-14-8-4-2-6-12(14)15(26-27)18(22,23)24/h1,3,5,7H,2,4,6,8-10H2,(H,25,28).
What are the key properties of 2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide has a molecular weight of 405.34 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 90614857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).